2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine

C11H15N5 — CID 80654966

IUPAC2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H15N5/c1-7-5-10(12)14-11(13-7)6-16-9(3)4-8(2)15-16/h4-5H,6H2,1-3H3,(H2,12,13,14)
InChIKeyVQJQJUVHZJQPMN-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.23
Rot. Bonds2

About 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine

2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine (PubChem CID 80654966) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
PubChem CID80654966
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(Cn2nc(C)cc2C)n1
InChIInChI=1S/C11H15N5/c1-7-5-10(12)14-11(13-7)6-16-9(3)4-8(2)15-16/h4-5H,6H2,1-3H3,(H2,12,13,14)
InChIKeyVQJQJUVHZJQPMN-UHFFFAOYSA-N
XLogP1.23
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine
CID 80654504
2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80654502
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-2,6-dione
CID 80654500
1-ethyl-3,5-dimethylpyrazole
CID 565993
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
4-[(3,5-dimethylpyrazol-1-yl)methyl]aniline;dihydrochloride
CID 45123702
1-[(4-amino-6-methylpyrimidin-2-yl)methyl]pyridin-4-one
CID 80654108
2-[(4-iodopyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine
CID 80653962
2-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)-6-methylpyrimidin-4-amine
CID 114196784
6-methyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]pyrimidin-4-amine
CID 80657286
2-[(4-amino-6-methylpyrimidin-2-yl)methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513931
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine (CID 80654966) is 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(Cn2nc(C)cc2C)n1.
What is the InChIKey of 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is VQJQJUVHZJQPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-5-10(12)14-11(13-7)6-16-9(3)4-8(2)15-16/h4-5H,6H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine?
2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 217.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpyrazol-1-yl)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 80654966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).